1,3-dimethyl-5-(2-methylbutan-2-yl)-2,4,6-trinitro-benzene

Systemtic Name: 1,3-dimethyl-5-(2-methylbutan-2-yl)-2,4,6-trinitro-benzene Openeye Name: 1-(1,1-dimethylpropyl)-3,5-dimethyl-2,4,6-trinitro-benzene CAS Name: 1,3-dimethyl-5-(2-methylbutan-2-yl)-2,4,6-trinitrobenzene IUPAC Name: 1,3-dimethyl-5-(2-methylbutan-2-yl)-2,4,6-trinitrobenzene Traditional Name: 1-tert-amyl-3,5-dimethyl-2,4,6-trinitro-benzene Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c1-6-13(4,5)9-11(15(19)20)7(2)10(14(17)18)8(3)12(9)16(21)22/h6H2,1-5H3